RefChem:239680
TL;DR: RefChem:239680 (CAS 27114-08-5) is a chemical compound with molecular formula C21H26Cl2N2O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-(4-chlorophenoxy)propan-2-ol;hydrochloride
Also Known As: 1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-(p-chlorophenoxy)-2-hydroxypropyl)-, hydrochloride, 1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-(4-chlorophenoxy)propan-2-ol hydrochloride, 1-(4-Chlorophenoxy)-3-(1,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)propan-2-ol--hydrogen chloride (1/1), 3H-Pyrazino[1,2-a]quinoline-3-ethanol, .alpha.-[(p-chlorophenoxy)methyl]-1,2,4,4a,5,6-hexahydro-, monohydrochloride, RefChem:239680
| Molecular Formula | C21H26Cl2N2O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 3.64 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.13715 |
| Heavy Atoms | 27 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 27114-08-5 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N3C1CN(CC3)CC(COC4=CC=C(C=C4)Cl)O.Cl |
| InChIKey | HMGNIKUGDLAONQ-UHFFFAOYSA-N |
Product Overview
RefChem:239680 (CAS 27114-08-5), with molecular formula C21H26Cl2N2O2 and molecular weight 408.14 g/mol. IUPAC: 1-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)-3-(4-chlorophenoxy)propan-2-ol;hydrochloride.
Chemical Property Profile of RefChem:239680
Property Insights of RefChem:239680
The XLogP value of 3.64 indicates that RefChem:239680 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, RefChem:239680 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:239680 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239680?
The CAS number of RefChem:239680 is 27114-08-5.
What is the molecular formula of RefChem:239680?
The molecular formula of RefChem:239680 is C21H26Cl2N2O2.
What is the molecular weight of RefChem:239680?
The molecular weight of RefChem:239680 is 408.14 g/mol.
Where can I buy RefChem:239680?
You can request a quote for RefChem:239680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239680?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.